I get a similar error with fermi smearing: Pneb_w_diag: ZHEEV failed 19.
When I run a job with an identical input file but without the line "smear fermi", I don't get an error, but when I include the line "smear fermi", I get the error message above. The end of the output file says:
fractional smearing parameters:
smearing algorithm = Fermi-Dirac
smearing parameter = 0.100E-02 ( 315.8 K)
energy calculation
======== bundled Grassmann lmbfgs iteration ========
>>> ITERATION STARTED AT Thu Nov 21 20:02:29 2013 <<<
iter. Energy DeltaE DeltaRho
------------------------------------------------------
- 10 steepest descent iterations performed
10 -0.6315233517E+02 0.00000E+00 0.68062E+00
Pneb_w_diag: ZHEEV failed 19 ------------------------------------------------------------------------
Pneb_w_diag: ZHEEV failed 19
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